The journey of a single polymer chain to a nanopore.,Soft Matter

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The journey of a single polymer chain to a nanopore.
Soft Matter ( IF 2.9 ) Pub Date : 2020-09-11 , DOI: 10.1039/d0sm01045f
Navid Afrasiabian ₁ , Colin Denniston ₂

Affiliation

For a polymer to successfully thread through a nanopore, it must first find the nanopore. This so-called capture process is typically considered as a two-stage operation consisting of the chain being delivered at the entrance of the nanopore and then insertion of one of the ends. Studying molecular dynamics-lattice Boltzmann simulations of the capture of a single polymer chain under pressure driven hydrodynamic flow, we observe that the insertion can be essentially automatic with no delay for the ends searching for the nanopore. The deformation of the chain within the converging flow area and also, the interplay between the chain elastic forces and the hydrodynamic drag play an important role in the capture of the chain by the nanopore. Along the journey to the nanopore, the chain may form folded shapes. The competition between the elastic and hydrodynamic forces results in unraveling of the folded conformations (hairpins) as the chain approaches the nanopore. Although the ends are not the only monomers that can thread into the nanopore, the unraveling process can result in much higher probability of threading by the ends.

中文翻译：

单聚合物链到纳米孔的旅程。

为了使聚合物成功穿过纳米孔，它必须首先找到纳米孔。这种所谓的捕获过程通常被认为是一个两阶段操作，包括在纳米孔入口处输送链，然后插入其中一端。研究在压力驱动的流体动力流下捕获单个聚合物链的分子动力学-晶格玻尔兹曼模拟，我们观察到插入基本上可以是自动的，对于搜索纳米孔的末端没有延迟。链在会聚流动区域内的变形以及链弹性力和流体动力阻力之间的相互作用在纳米孔捕获链中起着重要作用。在通往纳米孔的过程中，链可能会形成折叠形状。当链接近纳米孔时，弹性力和水动力之间的竞争导致折叠构象（发夹）解开。尽管末端并不是唯一可以穿入纳米孔的单体，但拆开过程会导致末端穿入的可能性更高。

更新日期：2020-10-15

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